Summary

Molecular formula: C21H32O8
SMILES: OC(=O)C[C@@H]([C@H](C(=O)O)OC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C(=O)O
InChI: InChI=1S/C21H32O8/c1-11-5-6-14-20(2,3)15(22)7-8-21(14,4)13(11)10-29-17(19(27)28)12(18(25)26)9-16(23)24/h12-15,17,22H,1,5-10H2,2-4H3,(H,23,24)(H,25,26)(H,27,28)/t12-,13-,14-,15-,17+,21+/m0/s1
InChIKey: NXBOOZAQZQINMQ-OECSREOESA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

---

Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Carboxylic acids and derivatives
Sub class: Tricarboxylic acids and derivatives

---

Synonymous chemical names:
cryptoporic acid i

---

External chemical identifiers:
CID_101602284

---

Chemical structure download