Cas no 132339-62-9 (3-Hydroxylup-20(29)-ene-23,28-dioic acid)
132339-62-9 structure
Product Name:3-Hydroxylup-20(29)-ene-23,28-dioic acid
CAS No:132339-62-9
MF:C30H46O5
MW:486.683249950409
CID:207836
Update Time:2024-02-28
3-Hydroxylup-20(29)-ene-23,28-dioic acid Chemical and Physical Properties
Names and Identifiers
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- Lup-20(29)-ene-23,28-dioicacid, 3-hydroxy- (9CI)
- 3-hydroxylup-20(29)en-23,28-dioic acid
- 3-Hydroxylup-20(29)-ene-23,28-dioic acid
- HLEDA
- Lup-20(29)-ene-23,28-dioic acid, 3-hydroxy-
-
- Inchi： 1S/C30H46O5/c1-17(2)18-9-14-30(25(34)35)16-15-27(4)19(23(18)30)7-8-20-26(3)12-11-22(31)29(6,24(32)33)21(26)10-13-28(20,27)5/h18-23,31H,1,7-16H2,2-6H3,(H,32,33)(H,34,35)/t18-,19+,20+,21+,22?,23+,26+,27+,28+,29?,30-/m0/s1
- InChI Key： NSLGONDVJPFEEN-YETQQTCNSA-N
- SMILES： OC1CC[C@@]2(C)[C@H](C1(C(=O)O)C)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H](C(=C)C)CC[C@]3(C(=O)O)CC[C@@]12C
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 35
- Rotatable Bond Count: 3
- Complexity: 958
- Topological Polar Surface Area: 94.8
3-Hydroxylup-20(29)-ene-23,28-dioic acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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